SCHEMBL28045866

SCHEMBL28045866

CN1C(=O)C(O)Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
RIPK1 Q13546 8/20 0.40
KMT2A Q03164 2/20 0.39
P2RX4 Q99571 1/20 0.38
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29999046 0.79 AADAT (0.42) ALDH1A1L3MBTL1KMT2AP2RX4TSHR
SCHEMBL914002 0.79 AADAT (0.42) ALDH1A1L3MBTL1KMT2AP2RX4TSHR
SCHEMBL29354025 0.79 TSHR (0.51) ALDH1A1L3MBTL1KMT2ATSHRHTT
SCHEMBL3401752 0.79 TSHR (0.51) ALDH1A1L3MBTL1KMT2ATSHRHTT
SCHEMBL6114257 0.78 GABRP (0.42) EGFRALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL15957026 0.75 GABRP (0.40) EGFRALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL14507328 0.75 PPARG (0.42) ALDH1A1L3MBTL1KDM4EHPGDTSHR
SCHEMBL1562017 0.74 AADAT (0.41) EGFRALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL19592502 0.74 AADAT (0.41) EGFRALDH1A1L3MBTL1KDM4EHPGD
Bromide SCHEMBL6851177 0.74 ALDH1A1 (0.38) EGFRALDH1A1L3MBTL1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218565-A Spiral shell oxindole compounds and the purposes as therapeutical agent thereof XENON PHARMACEUTICALS INC 2016-01-06 CN disclosed
CN-105175433-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2015-12-23 CN disclosed